N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[[2-(4-fluorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]-4-methyl-benzamide Formula: C21H16FN5OS MolecularWeight: 405.448043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN5OS/c1-13-2-4-14(5-3-13)20(28)24-21(29)23-16-8-11-18-19(12-16)26-27(25-18)17-9-6-15(22)7-10-17/h2-12H,1H3,(H2,23,24,28,29)